Analysis of the Metallic Intermediate Band in Cr-doped AgGaS₂ Semiconductor for the Photovoltaic Application

Abstract:

The intermediate band semiconductor of AgGa_1-xCr_xS₂ is investigated by the first principles calculations and further confirmed by the experimental results. The band structures of pure and Cr-doped crystals were calculated and it is shown that the crystal with a direct energy band gap of about 0.95 eV for AgGaS₂. Because of Cr dopant, a metallic intermediate band (IB) is successfully formed in the host. From the partial density of states (PDOS) of Cr-doped AgGaS₂, the IB mainly comes from the hybridization of the Cr-3d and S-3p states. Based on the theoretical predications, the Cr-doped AgGaS₂ is synthesized by the high-temperature solid state reaction. Two extra absorption responses are detected in the absorption spectra. The optical absorption coefficients are enhanced in the visible radiation range due to the formation of metallic and isolated IB. Therefore, Cr-doped AgGaS₂ with an intermediate band is suggested as a potential material to enhance the efficiency of solar cells.

• Periodical: Key Engineering Materials (Volume 920)
• Pages: 172-178
• DOI: https://doi.org/10.4028/p-dyxav9
• Online since: May 2022
• Authors: Wen Hao Peng, Bin Bin Li, Kai Xuan Shi, Ping Chen*
• Keywords: AgGaS₂, Electronic Structure, First-Principles Calculations, Intermediate Band, Optical Absorption

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